期刊
JOURNAL OF PHYSICAL CHEMISTRY B
卷 112, 期 30, 页码 8966-8974出版社
AMER CHEMICAL SOC
DOI: 10.1021/jp801445j
关键词
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We present a detailed computational study of the structure of ionic liquids based on the imidazolium cation. Both imidazolium-ring stacking and hydrogen bonding behavior are investigated from radial and spatial orientational distribution functions, as well as orientational correlation functions. The alkyl chain size and anion effect on the liquid structure are provided and discussed. Our results support models for liquid organization comparable to those formulated on the basis of experimental observations.
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